(9-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(2,6-difluorophenyl)methanone

C22H24F2N2O2 — CID 73212667

IUPAC(9-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(2,6-difluorophenyl)methanone
SMILESO=C(c1c(F)cccc1F)N1CCOC2(CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C22H24F2N2O2/c23-18-7-4-8-19(24)20(18)21(27)26-13-14-28-22(16-26)9-11-25(12-10-22)15-17-5-2-1-3-6-17/h1-8H,9-16H2
InChIKeyNPYRPQJPMFETSX-UHFFFAOYSA-N
MW386.44 g/mol
LogP3.47
Rot. Bonds3

About (9-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(2,6-difluorophenyl)methanone

(9-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(2,6-difluorophenyl)methanone (PubChem CID 73212667) has the molecular formula C22H24F2N2O2 and a molecular weight of 386.44 g/mol. Its IUPAC name is (9-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name(9-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(2,6-difluorophenyl)methanone
PubChem CID73212667
Molecular FormulaC22H24F2N2O2
Molecular Weight386.44 g/mol
Exact Mass386.18
IUPAC Name(9-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(2,6-difluorophenyl)methanone
SMILESO=C(c1c(F)cccc1F)N1CCOC2(CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C22H24F2N2O2/c23-18-7-4-8-19(24)20(18)21(27)26-13-14-28-22(16-26)9-11-25(12-10-22)15-17-5-2-1-3-6-17/h1-8H,9-16H2
InChIKeyNPYRPQJPMFETSX-UHFFFAOYSA-N
XLogP3.47
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (9-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(2,6-difluorophenyl)methanone with MolForge

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Related Compounds

phenyl-[9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 97372283
tert-butyl 2-benzyl-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 23548221
[9-[(4-chlorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-4-yl)methanone
CID 52950036
[9-[(3-methoxyphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-thiophen-3-ylmethanone
CID 155878851
8-[2-fluoro-6-(triazol-2-yl)benzoyl]-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylic acid
CID 175793720
[9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-thiophen-3-ylmethanone
CID 97450861
2-benzyl-6-oxa-2-azaspiro[4.5]decane
CID 82390526
(3-methoxyphenyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 118562293
[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-2-yl)methanone
CID 118562197
(2,6-difluorophenyl)-morpholin-4-ylmethanone
CID 532216
4-benzyl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97372231
1-[9-[(3-ethyl-5-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2,2,2-trifluoroethanone
CID 143843631

Frequently Asked Questions

What is the IUPAC name of (9-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(2,6-difluorophenyl)methanone?
The IUPAC name of (9-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(2,6-difluorophenyl)methanone (CID 73212667) is (9-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(2,6-difluorophenyl)methanone.
What is the SMILES notation for (9-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(2,6-difluorophenyl)methanone?
The canonical SMILES for (9-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(2,6-difluorophenyl)methanone is O=C(c1c(F)cccc1F)N1CCOC2(CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of (9-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(2,6-difluorophenyl)methanone?
The InChIKey is NPYRPQJPMFETSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O2/c23-18-7-4-8-19(24)20(18)21(27)26-13-14-28-22(16-26)9-11-25(12-10-22)15-17-5-2-1-3-6-17/h1-8H,9-16H2.
What are the key properties of (9-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(2,6-difluorophenyl)methanone?
(9-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(2,6-difluorophenyl)methanone has a molecular weight of 386.44 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 73212667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).